3-ethoxy-1-methyl-2H-pyrrol-5-one

C7H11NO2 — CID 13193727

IUPAC3-ethoxy-1-methyl-2H-pyrrol-5-one
SMILESCCOC1=CC(=O)N(C)C1
InChIInChI=1S/C7H11NO2/c1-3-10-6-4-7(9)8(2)5-6/h4H,3,5H2,1-2H3
InChIKeyVHPNGNYMZBZZOB-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.38
Rot. Bonds2

About 3-ethoxy-1-methyl-2H-pyrrol-5-one

3-ethoxy-1-methyl-2H-pyrrol-5-one (PubChem CID 13193727) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-ethoxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-ethoxy-1-methyl-2H-pyrrol-5-one
PubChem CID13193727
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-ethoxy-1-methyl-2H-pyrrol-5-one
SMILESCCOC1=CC(=O)N(C)C1
InChIInChI=1S/C7H11NO2/c1-3-10-6-4-7(9)8(2)5-6/h4H,3,5H2,1-2H3
InChIKeyVHPNGNYMZBZZOB-UHFFFAOYSA-N
XLogP0.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-ethoxy-1-methyl-2H-pyrrol-5-one (CID 13193727) is 3-ethoxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-ethoxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-ethoxy-1-methyl-2H-pyrrol-5-one is CCOC1=CC(=O)N(C)C1.
What is the InChIKey of 3-ethoxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is VHPNGNYMZBZZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-10-6-4-7(9)8(2)5-6/h4H,3,5H2,1-2H3.
What are the key properties of 3-ethoxy-1-methyl-2H-pyrrol-5-one?
3-ethoxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 13193727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).